Home Halogens 3-(3-chlorophenyl)pent-2-enoic acid

3-(3-chlorophenyl)pent-2-enoic acid

CAS No.:
1049160-96-4
Catalog Number:
AG019T76
Molecular Formula:
C11H11ClO2
Molecular Weight:
210.6568
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Product Description
Catalog Number:
AG019T76
Chemical Name:
3-(3-chlorophenyl)pent-2-enoic acid
CAS Number:
1049160-96-4
Molecular Formula:
C11H11ClO2
Molecular Weight:
210.6568
MDL Number:
MFCD11172818
IUPAC Name:
3-(3-chlorophenyl)pent-2-enoic acid
InChI:
InChI=1S/C11H11ClO2/c1-2-8(7-11(13)14)9-4-3-5-10(12)6-9/h3-7H,2H2,1H3,(H,13,14)
InChI Key:
ZKZHDZCPOCQOEK-UHFFFAOYSA-N
SMILES:
CCC(=CC(=O)O)c1cccc(c1)Cl
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.045g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.657g/mol
Monoisotopic Mass:
210.045g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.6  
Properties